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Chemical ID: 5892178

CCOCCCNC(=O)c1cc(ccc1N2CCCCC2)NC(=O)c3ccc(cc3)[N+](=O)[O-]

Chemical ID:

5892178

Name [?]:

N-(3-ethoxypropyl)-5-(4-nitrobenzoyl)amino-2-(1-piperidyl)benzamide

SMILES [?]:

CCOCCCNC(=O)c1cc(ccc1N2CCCCC2)NC(=O)c3ccc(cc3)[N+](=O)[O-]

InChi [?]:

InChI=1/C24H30N4O5/c1-2-33-16-6-13-25-24(30)21-17-19(9-12-22(21)27-14-4-3-5-15-27)26-23(29)18-7-10-20(11-8-18)28(31)32/h7-12,17H,2-6,13-16H2,1H3,(H,25,30)(H,26,29)

InChi Info:

AuxInfo=1/1/N:1,2,19,18,20,5,26,30,13,27,29,14,6,17,21,4,11,25,12,28,10,15,23,8,7,22,16,31,24,9,32,33,3/E:(4,5)(7,8)(10,11)(14,15)(31,32)/CRV:28.5/rA:33nCCOCCCNCOCCCCCCNCCCCCNCOCCCCCCN+OO-/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;s19;s16s20;s12;s22;d23;s23;s25;d26;s27;d28;d25s29;s28;d31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₀N₄O₅
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	7.14182
Area:	733.224
Solvation:	-11.1888
Coulombic:	-66.7156

Bond Count [?]

All:	35
Single:	26
Double:	9
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	454.519
H-Bond Donors:	2
H-Bond Acceptors:	9
XLogP:	3.83
LogP (Chemaxon):	3.17

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value